61510-09-6
Product Name:
Cholesteryl behenate
Formula:
C49H88O2
Synonyms:
3β-Hydroxy-5-cholestene 3-docosanoate;5-Cholesten-3β-ol 3-docosanoate;Cholesteryl docosanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 302.9 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
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COMPUTED DESCRIPTORS
| Molecular Weight | 709.2 g/mol |
|---|---|
| XLogP3 | 19.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 27 |
| Exact Mass | 708.67843205 g/mol |
| Monoisotopic Mass | 708.67843205 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 996 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cholesteryl behenate is a cholesterol ester obtained by the formal condensation of cholesterol with behenic acid. It has a role as a mouse metabolite. It is functionally related to a docosanoic acid.